FQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| O24 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | O22 | sing | 1.34Å | 1.41Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| O22 | C21 | sing | 1.45Å | 1.41Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C20 | O25 | sing | 1.45Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| O25 | C26 | sing | 1.34Å | 1.44Å | |
| C28 | C26 | sing | 1.51Å | 1.56Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| O13 | P11 | doub | 1.48Å | 1.49Å | |
| O18 | P15 | sing | 1.61Å | 1.59Å | |
| O14 | P11 | sing | 1.61Å | 1.62Å | |
| O14 | P15 | sing | 1.61Å | 1.59Å | |
| P11 | O10 | sing | 1.61Å | 1.62Å | |
| P11 | O12 | sing | 1.61Å | 1.52Å | |
| P15 | O17 | doub | 1.48Å | 1.50Å | |
| P15 | O16 | sing | 1.61Å | 1.51Å | |
| O10 | C09 | sing | 1.43Å | 1.45Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | O07 | sing | 1.44Å | 1.32Å | |
| C08 | C33 | sing | 1.54Å | 1.61Å | |
| O07 | C06 | sing | 1.44Å | 1.52Å | |
| O34 | C33 | sing | 1.43Å | 1.39Å | |
| C33 | C35 | sing | 1.55Å | 1.32Å | |
| O36 | C35 | sing | 1.43Å | 1.45Å | |
| C06 | C35 | sing | 1.55Å | 1.56Å | |
| C06 | N05 | sing | 1.47Å | 1.44Å | |
| C04 | N05 | sing | 1.47Å | 1.35Å | |
| C04 | C03 | sing | 1.51Å | 1.38Å | |
| N05 | C37 | sing | 1.35Å | 1.34Å | |
| C03 | C02 | doub | 1.33Å | 1.37Å | |
| C37 | O38 | doub | 1.22Å | 1.22Å | |
| C37 | N39 | sing | 1.34Å | 1.34Å | |
| C02 | N39 | sing | 1.39Å | 1.34Å | |
| C02 | N01 | sing | 1.39Å | 1.32Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| O16 | H4 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å | |
| C23 | C1 | sing | 1.51Å | 20.51Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C1 | H5 | sing | 1.09Å | 0.00Å | |
| C1 | H6 | sing | 1.09Å | 0.00Å | |
| C2 | H7 | sing | 1.09Å | 0.00Å | |
| C2 | H8 | sing | 1.09Å | 0.00Å | |
| C3 | H9 | sing | 1.09Å | 0.00Å | |
| C3 | H10 | sing | 1.09Å | 0.00Å | |
| C4 | H11 | sing | 1.09Å | 0.00Å | |
| C4 | H12 | sing | 1.09Å | 0.00Å | |
| C5 | H13 | sing | 1.09Å | 0.00Å | |
| C5 | H14 | sing | 1.09Å | 0.00Å | |
| C5 | H15 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 112.9° | 109.5° |
| C32 | C31 | H311 | 108.6° | 109.5° |
| C32 | C31 | H312 | 108.6° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.4° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| O24 | C23 | O22 | 120.2° | 120.0° |
| O24 | C23 | C1 | 121.6° | 120.0° |
| C23 | O22 | C21 | 112.6° | 117.0° |
| O22 | C23 | C1 | 99.7° | 120.0° |
| C31 | C30 | C29 | 112.0° | 109.5° |
| C31 | C30 | H301 | 108.9° | 109.4° |
| C31 | C30 | H302 | 108.8° | 109.4° |
| C30 | C31 | H311 | 108.6° | 109.5° |
| C30 | C31 | H312 | 108.6° | 109.4° |
| O22 | C21 | C20 | 107.6° | 109.5° |
| O22 | C21 | H211 | 110.0° | 109.5° |
| O22 | C21 | H212 | 109.9° | 109.5° |
| C30 | C29 | C28 | 113.5° | 109.5° |
| C30 | C29 | H292 | 108.4° | 109.4° |
| C30 | C29 | H291 | 108.5° | 109.4° |
| C29 | C30 | H301 | 108.8° | 109.5° |
| C29 | C30 | H302 | 108.8° | 109.5° |
| C21 | C20 | O25 | 109.6° | 109.4° |
| C21 | C20 | C19 | 115.4° | 109.5° |
| C21 | C20 | H201 | 107.4° | 109.5° |
| C20 | C21 | H211 | 109.9° | 109.5° |
| C20 | C21 | H212 | 109.9° | 109.4° |
| C29 | C28 | C26 | 114.1° | 109.5° |
| C29 | C28 | H282 | 108.3° | 109.5° |
| C29 | C28 | H281 | 108.3° | 109.5° |
| C28 | C29 | H292 | 108.5° | 109.5° |
| C28 | C29 | H291 | 108.4° | 109.5° |
| O25 | C20 | C19 | 108.9° | 109.5° |
| C20 | O25 | C26 | 121.0° | 117.0° |
| O25 | C20 | H201 | 108.6° | 109.5° |
| C20 | C19 | O18 | 107.0° | 109.4° |
| C20 | C19 | H192 | 110.1° | 109.5° |
| C20 | C19 | H191 | 110.1° | 109.5° |
| C19 | C20 | H201 | 106.7° | 109.5° |
| O25 | C26 | C28 | 118.3° | 120.0° |
| O25 | C26 | O27 | 121.1° | 120.0° |
| C28 | C26 | O27 | 120.6° | 120.0° |
| C26 | C28 | H282 | 108.3° | 109.5° |
| C26 | C28 | H281 | 108.3° | 109.5° |
| C19 | O18 | P15 | 116.7° | 123.0° |
| O18 | C19 | H192 | 110.1° | 109.5° |
| O18 | C19 | H191 | 110.1° | 109.4° |
| O13 | P11 | O14 | 110.7° | 109.5° |
| O13 | P11 | O10 | 105.9° | 109.5° |
| O13 | P11 | O12 | 109.8° | 109.5° |
| O18 | P15 | O14 | 104.8° | 109.5° |
| O18 | P15 | O17 | 108.5° | 109.5° |
| O18 | P15 | O16 | 109.0° | 109.5° |
| P11 | O14 | P15 | 131.2° | 134.0° |
| O14 | P11 | O10 | 104.4° | 109.5° |
| O14 | P11 | O12 | 111.3° | 109.5° |
| O14 | P15 | O17 | 110.0° | 109.5° |
| O14 | P15 | O16 | 115.9° | 109.5° |
| O10 | P11 | O12 | 114.5° | 109.5° |
| P11 | O10 | C09 | 116.2° | 123.0° |
| P11 | O12 | H3 | 109.5° | 114.0° |
| O17 | P15 | O16 | 108.4° | 109.5° |
| P15 | O16 | H4 | 109.5° | 114.0° |
| O10 | C09 | C08 | 106.4° | 109.5° |
| O10 | C09 | H092 | 110.2° | 109.5° |
| O10 | C09 | H091 | 110.3° | 109.5° |
| C09 | C08 | O07 | 107.1° | 109.9° |
| C09 | C08 | C33 | 112.0° | 109.9° |
| C09 | C08 | H081 | 109.9° | 110.0° |
| C08 | C09 | H092 | 110.2° | 109.4° |
| C08 | C09 | H091 | 110.2° | 109.5° |
| O07 | C08 | C33 | 105.1° | 107.2° |
| C08 | O07 | C06 | 106.5° | 107.0° |
| O07 | C08 | H081 | 113.5° | 109.9° |
| C08 | C33 | O34 | 111.0° | 110.5° |
| C08 | C33 | C35 | 103.3° | 104.2° |
| C33 | C08 | H081 | 109.1° | 109.9° |
| C08 | C33 | H331 | 106.8° | 110.4° |
| O07 | C06 | C35 | 104.5° | 103.4° |
| O07 | C06 | N05 | 114.8° | 110.6° |
| O07 | C06 | H061 | 109.6° | 110.7° |
| O34 | C33 | C35 | 115.2° | 110.5° |
| O34 | C33 | H331 | 109.5° | 110.5° |
| C33 | O34 | H341 | 109.5° | 114.0° |
| C33 | C35 | O36 | 114.5° | 110.9° |
| C33 | C35 | C06 | 100.9° | 102.1° |
| C35 | C33 | H331 | 110.6° | 110.5° |
| C33 | C35 | H351 | 111.9° | 110.9° |
| O36 | C35 | C06 | 111.0° | 110.9° |
| O36 | C35 | H351 | 109.8° | 110.9° |
| C35 | O36 | H361 | 109.5° | 114.0° |
| C35 | C06 | N05 | 108.0° | 110.6° |
| C35 | C06 | H061 | 109.1° | 110.6° |
| C06 | C35 | H351 | 108.3° | 110.9° |
| C06 | N05 | C04 | 119.1° | 120.8° |
| C06 | N05 | C37 | 121.2° | 120.7° |
| N05 | C06 | H061 | 110.7° | 110.6° |
| N05 | C04 | C03 | 120.2° | 117.2° |
| C04 | N05 | C37 | 119.7° | 118.5° |
| N05 | C04 | H041 | 106.7° | 107.9° |
| N05 | C04 | H2 | 106.7° | 107.9° |
| C04 | C03 | C02 | 119.0° | 118.0° |
| C04 | C03 | H031 | 120.5° | 121.0° |
| C03 | C04 | H041 | 106.7° | 107.9° |
| C03 | C04 | H2 | 106.7° | 107.9° |
| N05 | C37 | O38 | 121.1° | 119.0° |
| N05 | C37 | N39 | 119.9° | 121.9° |
| C03 | C02 | N39 | 118.3° | 121.1° |
| C03 | C02 | N01 | 123.1° | 119.4° |
| C02 | C03 | H031 | 120.5° | 121.1° |
| O38 | C37 | N39 | 118.9° | 119.0° |
| C37 | N39 | C02 | 122.7° | 123.3° |
| C37 | N39 | H391 | 118.6° | 118.3° |
| N39 | C02 | N01 | 118.5° | 119.5° |
| C02 | N39 | H391 | 118.6° | 118.3° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.1° |
| H1 | N01 | H011 | 109.5° | 120.0° |
| H041 | C04 | H2 | 109.5° | 107.7° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| C23 | C1 | C2 | 90.0° | 109.5° |
| C23 | C1 | H5 | 90.0° | 109.5° |
| C23 | C1 | H6 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H5 | 90.0° | 109.5° |
| C2 | C1 | H6 | 90.0° | 109.5° |
| C1 | C2 | H7 | 90.0° | 109.5° |
| C1 | C2 | H8 | 90.0° | 109.4° |
| C2 | C3 | C4 | 90.0° | 109.4° |
| C3 | C2 | H7 | 90.0° | 109.5° |
| C3 | C2 | H8 | 90.0° | 109.5° |
| C2 | C3 | H9 | 90.0° | 109.5° |
| C2 | C3 | H10 | 90.0° | 109.4° |
| C3 | C4 | C5 | 90.0° | 109.4° |
| C4 | C3 | H9 | 90.0° | 109.5° |
| C4 | C3 | H10 | 90.0° | 109.5° |
| C3 | C4 | H11 | 90.0° | 109.5° |
| C3 | C4 | H12 | 90.0° | 109.5° |
| C5 | C4 | H11 | 90.0° | 109.4° |
| C5 | C4 | H12 | 90.0° | 109.5° |
| C4 | C5 | H13 | 90.0° | 109.5° |
| C4 | C5 | H14 | 90.0° | 109.5° |
| C4 | C5 | H15 | 90.0° | 109.5° |
| H5 | C1 | H6 | 90.0° | 109.4° |
| H7 | C2 | H8 | 90.0° | 109.4° |
| H9 | C3 | H10 | 90.0° | 109.5° |
| H11 | C4 | H12 | 90.0° | 109.5° |
| H13 | C5 | H14 | 90.0° | 109.5° |
| H13 | C5 | H15 | 90.0° | 109.4° |
| H14 | C5 | H15 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H311 | 120.5° | 120.0° |
| C32 | C31 | C30 | H312 | 120.5° | 120.0° |
| C32 | C31 | C30 | C29 | 176.1° | NaN° |
| C32 | C31 | C30 | H301 | 63.5° | 60.0° |
| C32 | C31 | C30 | H302 | 55.8° | 60.0° |
| C32 | C31 | H311 | H312 | 118.5° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H323 | H322 | 120.0° | 120.0° |
| O24 | C23 | O22 | C1 | 135.6° | 180.0° |
| O24 | C23 | O22 | C21 | 74.2° | 0.0° |
| O24 | C23 | C1 | C2 | 90.0° | 0.0° |
| O24 | C23 | C1 | H5 | 90.0° | 120.1° |
| O24 | C23 | C1 | H6 | 90.0° | 120.0° |
| C23 | O22 | C21 | C20 | 157.4° | 180.0° |
| C23 | O22 | C21 | H211 | 37.7° | 60.0° |
| C23 | O22 | C21 | H212 | 82.9° | 60.0° |
| O22 | C23 | C1 | C2 | 90.0° | 180.0° |
| O22 | C23 | C1 | H5 | 90.0° | 60.0° |
| O22 | C23 | C1 | H6 | 90.0° | 60.0° |
| C31 | C30 | C29 | H301 | 120.4° | 120.0° |
| C31 | C30 | C29 | H302 | 120.4° | 120.0° |
| C31 | C30 | C29 | C28 | 179.7° | 180.0° |
| C31 | C30 | C29 | H292 | 59.7° | 60.0° |
| C31 | C30 | C29 | H291 | 59.1° | 60.0° |
| C31 | C30 | H301 | H302 | 118.8° | 120.0° |
| C30 | C31 | H311 | H312 | 118.4° | 120.0° |
| C30 | C31 | C32 | H321 | 180.0° | 60.0° |
| C30 | C31 | C32 | H323 | 60.0° | 60.0° |
| C30 | C31 | C32 | H322 | 60.0° | 180.0° |
| O22 | C21 | C20 | H211 | 119.7° | 120.1° |
| O22 | C21 | C20 | H212 | 119.7° | 120.0° |
| O22 | C21 | C20 | O25 | 69.1° | 65.0° |
| O22 | C21 | C20 | C19 | 167.5° | 175.0° |
| O22 | C21 | C20 | H201 | 48.6° | 55.0° |
| O22 | C21 | H211 | H212 | 120.8° | 120.0° |
| C21 | O22 | C23 | C1 | 61.4° | 180.0° |
| C30 | C29 | C28 | H292 | 120.6° | 120.0° |
| C30 | C29 | C28 | H291 | 120.6° | 120.0° |
| C30 | C29 | C28 | C26 | 73.1° | 180.0° |
| C30 | C29 | C28 | H282 | 166.2° | 60.0° |
| C30 | C29 | C28 | H281 | 47.6° | 60.0° |
| C30 | C29 | H292 | H291 | 118.1° | 119.9° |
| C29 | C30 | H301 | H302 | 118.8° | 120.1° |
| C29 | C30 | C31 | H311 | 55.7° | 60.0° |
| C29 | C30 | C31 | H312 | 63.3° | 60.0° |
| C21 | C20 | O25 | C19 | 127.1° | 120.0° |
| C21 | C20 | O25 | H201 | 117.1° | 120.0° |
| C21 | C20 | C19 | H201 | 119.3° | 120.0° |
| C21 | C20 | O25 | C26 | 54.8° | 150.0° |
| C21 | C20 | C19 | O18 | 155.7° | 175.0° |
| C21 | C20 | C19 | H192 | 84.7° | 55.1° |
| C21 | C20 | C19 | H191 | 36.1° | 65.0° |
| C20 | C21 | H211 | H212 | 120.9° | 119.9° |
| C29 | C28 | C26 | O25 | 115.1° | 180.0° |
| C29 | C28 | C26 | H282 | 120.7° | 120.0° |
| C29 | C28 | C26 | H281 | 120.7° | 120.0° |
| C29 | C28 | C26 | O27 | 66.0° | 0.0° |
| C29 | C28 | H282 | H281 | 117.9° | 120.0° |
| C28 | C29 | H292 | H291 | 118.1° | 120.1° |
| C28 | C29 | C30 | H301 | 59.3° | 60.1° |
| C28 | C29 | C30 | H302 | 60.0° | 60.0° |
| O25 | C20 | C19 | H201 | 117.0° | 120.0° |
| C20 | O25 | C26 | C28 | 163.3° | 180.0° |
| C20 | O25 | C26 | O27 | 17.9° | 0.0° |
| O25 | C20 | C19 | O18 | 32.0° | 65.0° |
| O25 | C20 | C19 | H192 | 151.6° | 175.0° |
| O25 | C20 | C19 | H191 | 87.6° | 54.9° |
| O25 | C20 | C21 | H211 | 171.1° | 55.0° |
| O25 | C20 | C21 | H212 | 50.6° | 175.0° |
| C19 | C20 | O25 | C26 | 72.3° | 90.0° |
| C20 | C19 | O18 | H192 | 119.6° | 120.0° |
| C20 | C19 | O18 | H191 | 119.6° | 120.0° |
| C20 | C19 | O18 | P15 | 154.9° | 180.0° |
| C20 | C19 | H192 | H191 | 121.2° | 120.1° |
| C19 | C20 | C21 | H211 | 47.8° | 64.9° |
| C19 | C20 | C21 | H212 | 72.8° | 55.0° |
| O25 | C26 | C28 | O27 | 178.9° | 180.0° |
| C26 | O25 | C20 | H201 | 171.8° | 30.0° |
| O25 | C26 | C28 | H282 | 124.2° | 60.0° |
| O25 | C26 | C28 | H281 | 5.5° | 60.0° |
| C26 | C28 | H282 | H281 | 117.9° | 120.0° |
| C26 | C28 | C29 | H292 | 47.5° | 60.0° |
| C26 | C28 | C29 | H291 | 166.3° | 60.0° |
| O27 | C26 | C28 | H282 | 54.7° | 120.0° |
| O27 | C26 | C28 | H281 | 173.4° | 120.0° |
| C19 | O18 | P15 | O14 | 61.1° | 175.0° |
| C19 | O18 | P15 | O17 | 178.6° | 55.0° |
| C19 | O18 | P15 | O16 | 63.5° | 65.0° |
| O18 | C19 | H192 | H191 | 121.1° | 120.0° |
| O18 | C19 | C20 | H201 | 85.0° | 55.0° |
| O13 | P11 | O14 | O10 | 113.6° | 120.0° |
| O13 | P11 | O14 | O12 | 122.4° | 120.0° |
| O13 | P11 | O14 | P15 | 141.6° | 39.9° |
| O13 | P11 | O10 | O12 | 121.1° | 120.0° |
| O13 | P11 | O10 | C09 | 168.1° | 55.0° |
| O13 | P11 | O12 | H3 | 0.0° | 180.0° |
| O18 | P15 | O14 | P11 | 148.1° | 160.0° |
| O18 | P15 | O14 | O17 | 116.5° | 120.0° |
| O18 | P15 | O14 | O16 | 120.2° | 120.0° |
| O18 | P15 | O17 | O16 | 118.3° | 120.0° |
| P15 | O18 | C19 | H192 | 35.3° | 60.0° |
| P15 | O18 | C19 | H191 | 85.5° | 60.1° |
| O18 | P15 | O16 | H4 | 117.9° | 60.0° |
| O14 | P11 | O10 | O12 | 121.9° | 120.0° |
| P11 | O14 | P15 | O17 | 95.4° | 40.1° |
| P11 | O14 | P15 | O16 | 28.0° | 80.0° |
| O14 | P11 | O10 | C09 | 74.9° | 175.0° |
| O14 | P11 | O12 | H3 | 122.9° | 60.0° |
| P15 | O14 | P11 | O10 | 104.8° | 159.9° |
| P15 | O14 | P11 | O12 | 19.2° | 80.0° |
| O14 | P15 | O17 | O16 | 127.6° | 120.0° |
| O14 | P15 | O16 | H4 | 124.2° | 60.0° |
| P11 | O10 | C09 | C08 | 144.2° | 180.0° |
| P11 | O10 | C09 | H092 | 24.7° | 60.0° |
| P11 | O10 | C09 | H091 | 96.3° | 60.0° |
| O10 | P11 | O12 | H3 | 119.0° | 60.0° |
| O12 | P11 | O10 | C09 | 47.0° | 65.0° |
| O17 | P15 | O16 | H4 | 0.0° | 180.0° |
| O10 | C09 | C08 | H092 | 119.5° | 120.0° |
| O10 | C09 | C08 | H091 | 119.5° | 120.0° |
| O10 | C09 | C08 | O07 | 63.1° | 66.5° |
| O10 | C09 | C08 | C33 | 177.9° | 175.7° |
| O10 | C09 | C08 | H081 | 60.6° | 54.6° |
| O10 | C09 | H092 | H091 | 121.4° | 120.0° |
| C09 | C08 | O07 | C33 | 119.3° | 119.4° |
| C09 | C08 | O07 | H081 | 121.5° | 121.2° |
| C09 | C08 | C33 | H081 | 121.9° | 121.2° |
| C09 | C08 | O07 | C06 | 138.4° | 145.9° |
| C09 | C08 | C33 | O34 | 77.5° | 119.9° |
| C09 | C08 | C33 | C35 | 158.5° | 121.4° |
| C08 | C09 | H092 | H091 | 121.4° | 120.0° |
| C09 | C08 | C33 | H331 | 41.8° | 2.7° |
| O07 | C08 | C33 | H081 | 122.1° | 119.4° |
| O07 | C08 | C33 | O34 | 166.5° | 120.7° |
| O07 | C08 | C33 | C35 | 42.5° | 2.0° |
| C08 | O07 | C06 | C35 | 5.1° | 40.1° |
| C08 | O07 | C06 | N05 | 112.9° | 158.6° |
| C08 | O07 | C06 | H061 | 121.8° | 78.5° |
| O07 | C08 | C09 | H092 | 56.4° | 173.5° |
| O07 | C08 | C09 | H091 | 177.3° | 53.5° |
| O07 | C08 | C33 | H331 | 74.2° | 116.7° |
| C33 | C08 | O07 | C06 | 19.1° | 26.5° |
| C08 | C33 | O34 | C35 | 117.0° | 114.8° |
| C08 | C33 | O34 | H331 | 117.6° | 122.5° |
| C08 | C33 | C35 | H331 | 113.9° | 118.6° |
| C08 | C33 | C35 | O36 | 77.0° | 139.1° |
| C08 | C33 | C35 | C06 | 42.2° | 20.9° |
| C33 | C08 | C09 | H092 | 58.4° | 55.8° |
| C33 | C08 | C09 | H091 | 62.6° | 64.3° |
| C08 | C33 | C35 | H351 | 157.2° | 97.3° |
| C08 | C33 | O34 | H341 | 180.0° | 180.0° |
| O07 | C06 | C35 | C33 | 32.2° | 37.0° |
| O07 | C06 | C35 | O36 | 89.5° | 155.2° |
| O07 | C06 | C35 | N05 | 122.6° | 118.5° |
| O07 | C06 | C35 | H061 | 117.1° | 118.6° |
| O07 | C06 | N05 | H061 | 124.7° | 123.0° |
| O07 | C06 | N05 | C04 | 17.4° | 131.0° |
| O07 | C06 | N05 | C37 | 160.4° | 49.1° |
| C06 | O07 | C08 | H081 | 100.1° | 92.9° |
| O07 | C06 | C35 | H351 | 149.8° | 81.2° |
| O34 | C33 | C35 | H331 | 124.8° | 122.7° |
| O34 | C33 | C35 | O36 | 44.2° | 20.4° |
| O34 | C33 | C35 | C06 | 163.5° | 97.8° |
| O34 | C33 | C08 | H081 | 44.4° | 1.3° |
| O34 | C33 | C35 | H351 | 81.5° | 144.0° |
| C33 | C35 | O36 | C06 | 113.4° | 112.7° |
| C33 | C35 | O36 | H351 | 126.8° | 123.6° |
| C33 | C35 | C06 | H351 | 117.6° | 118.2° |
| C33 | C35 | C06 | N05 | 90.4° | 155.5° |
| C33 | C35 | C06 | H061 | 149.3° | 81.6° |
| C35 | C33 | C08 | H081 | 79.6° | 117.4° |
| C35 | C33 | O34 | H341 | 63.0° | 65.2° |
| C33 | C35 | O36 | H361 | 180.0° | 67.3° |
| O36 | C35 | C06 | H351 | 120.7° | 123.6° |
| O36 | C35 | C06 | N05 | 147.9° | 86.3° |
| O36 | C35 | C06 | H061 | 27.6° | 36.6° |
| O36 | C35 | C33 | H331 | 169.1° | 102.3° |
| C35 | C06 | N05 | H061 | 119.3° | 122.9° |
| C35 | C06 | N05 | C04 | 98.6° | 115.0° |
| C35 | C06 | N05 | C37 | 83.6° | 65.0° |
| C06 | C35 | C33 | H331 | 71.7° | 139.5° |
| C06 | C35 | O36 | H361 | 66.6° | 180.0° |
| C06 | N05 | C04 | C37 | 177.8° | 180.0° |
| C06 | N05 | C04 | C03 | 179.6° | 180.0° |
| C06 | N05 | C37 | O38 | 2.8° | 0.0° |
| C06 | N05 | C37 | N39 | 179.9° | 180.0° |
| C06 | N05 | C04 | H041 | 58.9° | 58.1° |
| C06 | N05 | C04 | H2 | 58.1° | 58.0° |
| N05 | C06 | C35 | H351 | 27.2° | 37.3° |
| N05 | C04 | C03 | H041 | 121.5° | 121.9° |
| N05 | C04 | C03 | H2 | 121.5° | 122.0° |
| N05 | C04 | C03 | C02 | 1.3° | 0.0° |
| C04 | N05 | C37 | O38 | 179.5° | 180.0° |
| C04 | N05 | C37 | N39 | 2.4° | 0.0° |
| N05 | C04 | C03 | H031 | 178.8° | 180.0° |
| N05 | C04 | H041 | H2 | 115.1° | 116.3° |
| C04 | N05 | C06 | H061 | 142.0° | 7.9° |
| C03 | C04 | N05 | C37 | 2.6° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | N39 | 0.3° | 0.0° |
| C04 | C03 | C02 | N01 | 179.7° | 179.7° |
| C03 | C04 | H041 | H2 | 115.2° | 116.3° |
| N05 | C37 | O38 | N39 | 177.2° | 180.0° |
| N05 | C37 | N39 | C02 | 0.8° | 0.0° |
| C37 | N05 | C04 | H041 | 118.9° | 121.9° |
| C37 | N05 | C04 | H2 | 124.1° | 122.0° |
| C37 | N05 | C06 | H061 | 35.7° | 172.1° |
| N05 | C37 | N39 | H391 | 179.3° | 179.7° |
| C03 | C02 | N39 | C37 | 0.6° | 0.0° |
| C03 | C02 | N39 | N01 | 179.4° | 179.7° |
| C03 | C02 | N01 | H1 | 180.0° | 179.7° |
| C03 | C02 | N01 | H011 | 60.0° | 0.0° |
| C02 | C03 | C04 | H041 | 120.2° | 121.9° |
| C02 | C03 | C04 | H2 | 122.7° | 122.0° |
| C03 | C02 | N39 | H391 | 179.4° | 179.7° |
| O38 | C37 | N39 | C02 | 178.0° | 180.0° |
| O38 | C37 | N39 | H391 | 2.1° | 0.3° |
| C37 | N39 | C02 | H391 | 180.0° | 179.7° |
| C37 | N39 | C02 | N01 | 180.0° | 179.7° |
| N39 | C02 | N01 | H1 | 0.6° | 0.0° |
| N39 | C02 | N01 | H011 | 119.4° | 179.7° |
| N39 | C02 | C03 | H031 | 179.7° | 180.0° |
| C02 | N01 | H1 | H011 | 120.0° | 179.7° |
| N01 | C02 | C03 | H031 | 0.3° | 0.3° |
| N01 | C02 | N39 | H391 | 0.0° | 0.1° |
| H031 | C03 | C04 | H041 | 59.8° | 58.1° |
| H031 | C03 | C04 | H2 | 57.3° | 58.1° |
| H061 | C06 | C35 | H351 | 93.1° | 160.2° |
| H081 | C08 | C09 | H092 | 179.9° | 65.4° |
| H081 | C08 | C09 | H091 | 58.9° | 174.6° |
| H081 | C08 | C33 | H331 | 163.7° | 123.9° |
| H192 | C19 | C20 | H201 | 34.6° | 64.9° |
| H191 | C19 | C20 | H201 | 155.4° | 175.0° |
| H201 | C20 | C21 | H211 | 71.1° | 175.0° |
| H201 | C20 | C21 | H212 | 168.3° | 65.0° |
| H282 | C28 | C29 | H292 | 73.2° | 179.9° |
| H282 | C28 | C29 | H291 | 45.6° | 60.0° |
| H281 | C28 | C29 | H292 | 168.2° | 60.0° |
| H281 | C28 | C29 | H291 | 73.0° | 179.9° |
| H292 | C29 | C30 | H301 | 179.9° | 179.9° |
| H292 | C29 | C30 | H302 | 60.6° | 60.0° |
| H291 | C29 | C30 | H301 | 61.3° | 60.0° |
| H291 | C29 | C30 | H302 | 179.4° | 179.9° |
| H301 | C30 | C31 | H311 | 176.0° | 180.0° |
| H301 | C30 | C31 | H312 | 57.1° | 60.0° |
| H302 | C30 | C31 | H311 | 64.7° | 60.0° |
| H302 | C30 | C31 | H312 | 176.3° | 180.0° |
| H311 | C31 | C32 | H321 | 59.5° | 180.0° |
| H311 | C31 | C32 | H323 | 60.5° | 60.0° |
| H311 | C31 | C32 | H322 | 179.5° | 60.0° |
| H312 | C31 | C32 | H321 | 59.5° | 60.0° |
| H312 | C31 | C32 | H323 | 179.5° | 179.9° |
| H312 | C31 | C32 | H322 | 60.5° | 60.1° |
| H321 | C32 | H323 | H322 | 120.0° | 120.0° |
| H331 | C33 | C35 | H351 | 43.3° | 21.3° |
| H331 | C33 | O34 | H341 | 62.4° | 57.5° |
| H351 | C35 | O36 | H361 | 53.2° | 56.4° |
| C23 | C1 | C2 | H5 | 90.0° | 120.0° |
| C23 | C1 | C2 | H6 | 90.0° | 120.0° |
| C23 | C1 | C2 | C3 | 90.0° | 180.0° |
| C23 | C1 | H5 | H6 | 90.0° | 120.0° |
| C23 | C1 | C2 | H7 | 90.0° | 60.0° |
| C23 | C1 | C2 | H8 | 90.0° | 60.0° |
| C1 | C2 | C3 | H7 | 90.0° | 120.0° |
| C1 | C2 | C3 | H8 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H5 | H6 | 90.0° | 120.0° |
| C1 | C2 | H7 | H8 | 90.0° | 119.9° |
| C1 | C2 | C3 | H9 | 90.0° | 59.9° |
| C1 | C2 | C3 | H10 | 90.0° | 60.0° |
| C2 | C3 | C4 | H9 | 90.0° | 120.0° |
| C2 | C3 | C4 | H10 | 90.0° | 119.9° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H5 | 90.0° | 59.9° |
| C3 | C2 | C1 | H6 | 90.0° | 60.0° |
| C3 | C2 | H7 | H8 | 90.0° | 120.1° |
| C2 | C3 | H9 | H10 | 90.0° | 120.0° |
| C2 | C3 | C4 | H11 | 90.0° | 60.0° |
| C2 | C3 | C4 | H12 | 90.0° | 60.0° |
| C3 | C4 | C5 | H11 | 90.0° | 120.0° |
| C3 | C4 | C5 | H12 | 90.0° | 120.0° |
| C4 | C3 | C2 | H7 | 90.0° | 60.0° |
| C4 | C3 | C2 | H8 | 90.0° | 60.0° |
| C4 | C3 | H9 | H10 | 90.0° | 120.1° |
| C3 | C4 | H11 | H12 | 90.0° | 120.1° |
| C3 | C4 | C5 | H13 | 90.0° | 60.1° |
| C3 | C4 | C5 | H14 | 90.0° | 60.0° |
| C3 | C4 | C5 | H15 | 90.0° | 180.0° |
| C5 | C4 | C3 | H9 | 90.0° | 60.0° |
| C5 | C4 | C3 | H10 | 90.0° | 60.0° |
| C5 | C4 | H11 | H12 | 90.0° | 120.0° |
| C4 | C5 | H13 | H14 | 90.0° | 120.1° |
| C4 | C5 | H13 | H15 | 90.0° | 120.0° |
| C4 | C5 | H14 | H15 | 90.0° | 120.0° |
| H5 | C1 | C2 | H7 | 90.0° | 180.0° |
| H5 | C1 | C2 | H8 | 90.0° | 60.1° |
| H6 | C1 | C2 | H7 | 90.0° | 60.1° |
| H6 | C1 | C2 | H8 | 90.0° | 180.0° |
| H7 | C2 | C3 | H9 | 90.0° | 180.0° |
| H7 | C2 | C3 | H10 | 90.0° | 60.0° |
| H8 | C2 | C3 | H9 | 90.0° | 60.0° |
| H8 | C2 | C3 | H10 | 90.0° | 180.0° |
| H9 | C3 | C4 | H11 | 90.0° | 180.0° |
| H9 | C3 | C4 | H12 | 90.0° | 60.0° |
| H10 | C3 | C4 | H11 | 90.0° | 59.9° |
| H10 | C3 | C4 | H12 | 90.0° | 180.0° |
| H11 | C4 | C5 | H13 | 90.0° | 180.0° |
| H11 | C4 | C5 | H14 | 90.0° | 60.0° |
| H11 | C4 | C5 | H15 | 90.0° | 60.1° |
| H12 | C4 | C5 | H13 | 90.0° | 59.9° |
| H12 | C4 | C5 | H14 | 90.0° | 180.0° |
| H12 | C4 | C5 | H15 | 90.0° | 60.0° |
| H13 | C5 | H14 | H15 | 90.0° | 119.9° |
